3-tert-butyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-tert-butyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-tert-butyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-tert-butyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C24H29N3O MolecularWeight: 375.50656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O/c1-24(2,3)22-21-11-7-8-16-25-23(21)27(26-22)19-12-14-20(15-13-19)28-17-18-9-5-4-6-10-18/h4-6,9-10,12-15,26H,7-8,11,16-17H2,1-3H3